Vitas-M small molecule compound

{1-hydroxy-3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}(phenyl)methanone

Catalog ID
STK566653
SMILES OC1=C2C(=Nc3c(N(C2c2ccc(o2)c2ccc(cc2C)[N+](=O)[O-])C(=O)c2ccccc2)cccc3)CC(C1)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C33H29N3O5 MW 547.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O5/c1-20-17-22(36(39)40)13-14-23(20)28-15-16-29(41-28)31-30-25(18-33(2,3)19-27(30)37)34-24-11-7-8-12-26(24)35(31)32(38)21-9-5-4-6-10-21/h4-17,31,37H,18-19H2,1-3H3
InChIKey
RCFGZBBRXCIAIT-UHFFFAOYSA-N
Synonyms

(1hydroxy33dimethyl11(5(2methyl4nitrophenyl)furan2yl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)(phenyl)methanone
MFCD03794791
OC1=C2C(=Nc3c(N(C2c2ccc(o2)c2ccc(cc2C)(N+)(=O)(O))C(=O)c2ccccc2)cccc3)CC(C1)(C)C
ZINC000102650555
ZINC000102650560

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Available files

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